3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile

Systemtic Name: 3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile Openeye Name: 3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile CAS Name: 3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenylpropanenitrile IUPAC Name: 3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenylpropanenitrile Traditional Name: 3-[3-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propionitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=NN(C=N2)CC(C#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=NN(C=N2)CC(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O/c1-25-19-10-7-16(8-11-19)9-12-20-22-15-24(23-20)14-18(13-21)17-5-3-2-4-6-17/h2-8,10-11,15,18H,9,12,14H2,1H3